Simulation of electron transfer between cytochrome C2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants.

Journal Article (Journal Article)

Electron transfer is essential for bacterial photosynthesis which converts light energy into chemical energy. This paper theoretically studies the interprotein electron transfer from cytochrome c(2) of Rhodobacter capsulatus to the photosynthetic reaction center of Rhodobacter sphaeroides in native and mutated systems. Brownian dynamics is used with an exponential distance-dependent electron-transfer rate model to compute bimolecular rate constants, which are consistent with experimental data when reasonable prefactors and decay constants are used. Interestingly, switching of the reaction mechanism from the diffusion-controlled limit in the native proteins to the activation-controlled limit in one of the mutants (DK(L261)/KE(C99)) was found. We also predict that the second-order rate for the native reaction center/cytochrome c(2) system will decrease with increasing ionic strength, a characteristic of electrostatically controlled docking.

Full Text

Duke Authors

Cited Authors

  • Lin, J; Beratan, DN

Published Date

  • April 2005

Published In

Volume / Issue

  • 109 / 15

Start / End Page

  • 7529 - 7534

PubMed ID

  • 16851864

Electronic International Standard Serial Number (EISSN)

  • 1520-5207

International Standard Serial Number (ISSN)

  • 1520-6106

Digital Object Identifier (DOI)

  • 10.1021/jp045417w


  • eng